Functional Group Count

User 12562e1acd

21-01-2016 21:54:13

Is there a function in JChem for Excel that would allow me to count the number of a specific functional group in a set of structures.  For example, I have a spreadsheet of several hundred structures and for each one I would like to know how many R-NH2, R2-NH, R3-N, RCN, R-COOH, ROPO3 groups there are in each structure. 

ChemAxon a3dda216df

22-01-2016 12:36:01


Please, check the attached example file. You can use the function


to find out if the functional group is available in the molecule, and you can use the function


to find out the number of functional groups.